3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide

C17H20N2O — CID 1042786

IUPAC3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide
SMILESCCc1cnccc1CCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H20N2O/c1-3-14-12-18-11-10-15(14)8-9-17(20)19-16-7-5-4-6-13(16)2/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyVWCCHZVJFGKAPM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.52
Rot. Bonds5

About 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide

3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide (PubChem CID 1042786) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide
PubChem CID1042786
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide
SMILESCCc1cnccc1CCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H20N2O/c1-3-14-12-18-11-10-15(14)8-9-17(20)19-16-7-5-4-6-13(16)2/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyVWCCHZVJFGKAPM-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide (CID 1042786) is 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide is CCc1cnccc1CCC(=O)Nc1ccccc1C.
What is the InChIKey of 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide?
The InChIKey is VWCCHZVJFGKAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-14-12-18-11-10-15(14)8-9-17(20)19-16-7-5-4-6-13(16)2/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide?
3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 1042786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).